4LQK
Structure of the vaccinia virus NF- B antagonist A46
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 107.114, 107.633, 137.899 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.460 - 1.990 |
| R-factor | 0.19803 |
| Rwork | 0.197 |
| R-free | 0.21872 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.202 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.924 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.163 | 1.809 |
| Number of reflections | 54421 | |
| <I/σ(I)> | 10.4 | 1.3 |
| Completeness [%] | 99.5 | 92.4 |
| Redundancy | 7.9 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 295.15 | 100 mM bis-tris-propane pH 7.5, 150 mM NaBr, 18% PEG3350, VAPOR DIFFUSION, temperature 295.15K |
